(2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione

C18H14N4O2 — CID 19801535

IUPAC(2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione
SMILESO=c1cc/c(=N\Nc2ccccc2)c(=O)/c1=N\Nc1ccccc1
InChIInChI=1S/C18H14N4O2/c23-16-12-11-15(21-19-13-7-3-1-4-8-13)18(24)17(16)22-20-14-9-5-2-6-10-14/h1-12,19-20H/b21-15+,22-17-
InChIKeyNDLIECNOSIXXSC-JMGJLQEMSA-N
MW318.34 g/mol
LogP1.14
Rot. Bonds4

About (2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione

(2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione (PubChem CID 19801535) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione.

Molecular Properties

Compound Name(2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione
PubChem CID19801535
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name(2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione
SMILESO=c1cc/c(=N\Nc2ccccc2)c(=O)/c1=N\Nc1ccccc1
InChIInChI=1S/C18H14N4O2/c23-16-12-11-15(21-19-13-7-3-1-4-8-13)18(24)17(16)22-20-14-9-5-2-6-10-14/h1-12,19-20H/b21-15+,22-17-
InChIKeyNDLIECNOSIXXSC-JMGJLQEMSA-N
XLogP1.14
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione?
The IUPAC name of (2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione (CID 19801535) is (2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione.
What is the SMILES notation for (2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione?
The canonical SMILES for (2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione is O=c1cc/c(=N\Nc2ccccc2)c(=O)/c1=N\Nc1ccccc1.
What is the InChIKey of (2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione?
The InChIKey is NDLIECNOSIXXSC-JMGJLQEMSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-16-12-11-15(21-19-13-7-3-1-4-8-13)18(24)17(16)22-20-14-9-5-2-6-10-14/h1-12,19-20H/b21-15+,22-17-.
What are the key properties of (2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione?
(2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione has a molecular weight of 318.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-2,6-bis(phenylhydrazinylidene)cyclohex-4-ene-1,3-dione is sourced from PubChem (CID 19801535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).